6-Bromo-3-[(1H-imidazol-5-yl)methylidene]-1,3-dihydro-2H-indol-2-one

Base Information

• Chemical Name: 6-Bromo-3-[(1H-imidazol-5-yl)methylidene]-1,3-dihydro-2H-indol-2-one
• CAS No.: 638563-57-2
• Molecular Formula: C12H8 Br N3 O
• Molecular Weight: 290.12
• DSSTox Substance ID: DTXSID20402643
• Mol file: 638563-57-2.mol

Synonyms:Boc-L-Homoargininehydrochloride;DTXSID20402643;6-Bromo-3-[(1H-imidazol-5-yl)methylidene]-1,3-dihydro-2H-indol-2-one

Chemical Property of 6-Bromo-3-[(1H-imidazol-5-yl)methylidene]-1,3-dihydro-2H-indol-2-one

Chemical Property:

• Melting Point: >300 °C(Solv: ethanol (64-17-5))
• Boiling Point: 586.5±50.0 °C(Predicted)
• PKA: 11.37±0.20(Predicted)
• PSA: 57.78000
• Density: 1.741±0.06 g/cm3(Predicted)
• LogP: 2.80290
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 288.98507
• Heavy Atom Count: 17
• Complexity: 358

Purity/Quality:

97% ^*data from raw suppliers

6-BROMO-3-(3H-IMIDAZOL-4-YLMETHYLENE)-1,3-DIHYDRO-INDOL-2-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1Br)NC(=O)C2=CC3=CN=CN3